SCHEMBL2481544

SCHEMBL2481544

N=C(N)NCCC[C@@H](C(=O)O)N(CCO)CCO

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
ALB P02768 1/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OTC P00480 1/20 0.31
NOD1 Q9Y239 2/20 0.31
DDAH1 O94760 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20797922 0.86
SCHEMBL20797791 0.86
SCHEMBL3732825 0.83 ALOX15 (0.34) ALOX15ALBNOS3NOS1NOS2
SCHEMBL1881323 0.83 ALOX15 (0.34) ALOX15ALBNOS3NOS1NOS2
SCHEMBL1419586 0.83 ALOX15 (0.34) ALOX15ALBNOS3NOS1NOS2
SCHEMBL2994242 0.83 OTC (0.40) ALOX15ALBNOS3NOS1NOS2
SCHEMBL2336282 0.83 NOD1 (0.48) ALBNOD1
SCHEMBL2336277 0.83 NOD1 (0.48) ALBNOD1
Hydrochloric Acid SCHEMBL28067882 0.82 ALOX15 (0.33) ALOX15ALBNOS3NOS1NOS2
Hydrochloric Acid SCHEMBL28067883 0.82 ALOX15 (0.33) ALOX15ALBNOS3NOS1NOS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102256936-B Arginine derivative and cosmetic comprising same NOF CORP 2014-06-18 CN disclosed
EP-2377848-B1 ARGININE DERIVATIVE AND COSMETIC COMPRISING SAME NOF CORP (JP) 2013-10-02 EP disclosed
US-8518994-B2 Arginine derivative and cosmetic containing the same NOF CORPORATION (JP) 2013-08-27 US disclosed
EP-2377848-A1 ARGININE DERIVATIVE AND COSMETIC COMPRISING SAME NOF Corporation (JP) 2011-10-19 EP disclosed
US-20110245344-A1 ARGININE DERIVATIVE AND COSMETIC CONTAINING THE SAME NOF CORPORATION (JP) 2011-10-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110245344-A1 ARGININE DERIVATIVE AND COSMETIC CONTAINING THE SAME ARG1, ARG2, ARGLU1 ALOX15 2865/4885ALB 3810/4885NOS3 26/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.